In this work, we have characterized four types of porous carbon material by N 2 adsorption at 77 K and CO 2 adsorption at the freezing point. The results show that both the BET equation based on the N 2 adsorption isotherm and the D-A model parameters obtained from the CO 2 adsorption isotherm are not applicable for analyzing the CO 2 adsorption characteristics in porous carbon materials. The density functional theory (DFT) analysis results of the CO 2 adsorption isotherm show that the adsorption of CO 2 in a porous carbon material occurs mainly in micropores, and the micropore volume calculated by the DFT model is in good agreement with the adsorption isotherm. Therefore, the DFT model based on the CO 2 adsorption isotherm is a reliable characterization method and can accurately reflect the CO 2 adsorption characteristics of activated carbon.

中文翻译：

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多孔碳材料中CO2吸附量与微孔体积的关系

在这项工作中，我们通过 77 K 下的 N 2 吸附和冰点下的 CO 2 吸附来表征四种类型的多孔碳材料。结果表明，基于N 2 吸附等温线的BET方程和从CO 2 吸附等温线获得的DA模型参数均不适用于分析多孔碳材料中的CO 2 吸附特性。CO 2 吸附等温线的密度泛函理论（DFT）分析结果表明，CO 2 在多孔碳材料中的吸附主要发生在微孔中，DFT模型计算的微孔体积与吸附等温线吻合较好。因此，基于CO 2 吸附等温线的DFT模型是一种可靠的表征方法，可以准确反映活性炭的CO 2 吸附特性。